ethyl 2-[3-(1H-indol-2-ylcarbonylamino)-1-nonan-5-yl-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[3-(1H-indol-2-ylcarbonylamino)-1-nonan-5-yl-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[1-(1-butylpentyl)-3-(1H-indole-2-carbonylamino)-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[3-[[1H-indol-2-yl(oxo)methyl]amino]-1-nonan-5-yl-4-(1-oxopropyl)-2-piperazinyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1H-indole-2-carbonylamino)-1-nonan-5-yl-4-propanoylpiperazin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[1-(1-butylpentyl)-3-(1H-indole-2-carbonylamino)-4-propionyl-piperazin-2-yl]thio]nicotinic acid ethyl ester Formula: C33H45N5O4S MolecularWeight: 607.8065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)N1CCN(C(C1SC2=C(C=CC=N2)C(=O)OCC)NC(=O)C3=CC4=CC=CC=C4N3)C(=O)CC

Isomeric SMILES

CCCCC(CCCC)N1CCN(C(C1SC2=C(C=CC=N2)C(=O)OCC)NC(=O)C3=CC4=CC=CC=C4N3)C(=O)CC

InChI

InChI=1S/C33H45N5O4S/c1-5-9-15-24(16-10-6-2)37-20-21-38(28(39)7-3)29(36-30(40)27-22-23-14-11-12-18-26(23)35-27)32(37)43-31-25(17-13-19-34-31)33(41)42-8-4/h11-14,17-19,22,24,29,32,35H,5-10,15-16,20-21H2,1-4H3,(H,36,40)